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Compound Detail

CHEMBL4303214

FRUQUINTINIB
💊 Approved Drug
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💊 Approved Drug
CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4303214
Name FRUQUINTINIB
Phase Approved
Structure Type MOL
InChI Key BALLNEJQLSTPIO-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Fruquintinib Fruzaqla Hmpl-013 HMPL013
5
Targets
11
Activities
1
Assay Types
0
PK Parameters
20
Publications
4
Known Names
20
Indications
1
Mechanisms

Molecular Properties

393.4
MW (Da)
3.85
ALogP
7
HBA
1
HBD
95.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2023
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -tinib
USAN Year 2020

Extended Properties

Molecular Formula C21H19N3O5
MW 393.40
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.76

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Vascular endothelial growth factor receptor inhibitor INHIBITOR Vascular endothelial growth factor receptor ✓ ✓

Indications

Colorectal Neoplasms Colorectal Neoplasms Colorectal Neoplasms Neoplasms Neoplasms Carcinoma, Non-Small-Cell Lung Stomach Neoplasms Stomach Neoplasms Carcinoma, Hepatocellular Carcinoma, Renal Cell Colonic Neoplasms Esophageal Neoplasms Lung Neoplasms Pancreatic Neoplasms Rectal Neoplasms Sarcoma Adenocarcinoma Breast Neoplasms Endometrial Neoplasms Kidney Diseases

ATC Classification

L01EK04
fruquintinib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS

Activity Summary

IC50 11 meas. best 9.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 9.46 8.7933 0.3 3
Vascular endothelial growth factor receptor 1
CHEMBL1868
 IC50 7.48 7.4733 33.0 3
Vascular endothelial growth factor receptor 3
CHEMBL1955
 IC50 7.46 7.46 35.0 3
HCT-116
CHEMBL394
 IC50 6.1 6.1 800.0 1
HT-29
CHEMBL384
 IC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 0.35 nM 9.46 Inhibition of human recombinant VEGFR2 by FRET based Z-LYTE kinase assay 37944387
Vascular endothelial growth factor receptor 2 IC50 = 0.35 nM 9.46 Inhibition of VEGFR2 (unknown origin) 38183778
Vascular endothelial growth factor receptor 1 IC50 = 33.0 nM 7.48 Inhibition of human recombinant VEGFR1 by FRET based Z-LYTE kinase assay 37944387
Vascular endothelial growth factor receptor 1 IC50 = 33.0 nM 7.48 Inhibition of VEGFR1 (unknown origin) 38183778
Vascular endothelial growth factor receptor 3 IC50 = 35.0 nM 7.46 Inhibition of human recombinant VEGFR3 by FRET based Z-LYTE kinase assay 37944387
Vascular endothelial growth factor receptor 3 IC50 = 35.0 nM 7.46 Inhibition of VEGFR3 (unknown origin) 38183778
Vascular endothelial growth factor receptor 1 IC50 = 35.0 nM 7.46 Inhibition of VEGFR-1 (unknown origin) 37453330
Vascular endothelial growth factor receptor 3 IC50 = 35.0 nM 7.46 Inhibition of VEGFR-3 (unknown origin) 37453330
Vascular endothelial growth factor receptor 2 IC50 = 35.0 nM 7.46 Inhibition of VEGFR-2 (unknown origin) by Kinase-Glo Max assay 37453330
HCT-116 IC50 = 800.0 nM 6.1 Cytotoxicity against human HCT-116 cells assessed as cell growth inhibition by M... 35763868
HT-29 IC50 = 1500.0 nM 5.82 Cytotoxicity against human HT-29 cells assessed as cell growth inhibition by MTT... 35763868

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
37556948 10.1016/j.ejmech.2023.115703 HCT-116 3
37556948 10.1016/j.ejmech.2023.115703 ADMET 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37944387 10.1016/j.ejmech.2023.115928 Vascular endothelial growth factor receptor 2 1
37453330 10.1016/j.ejmech.2023.115626 Vascular endothelial growth factor receptor 2 1
37453330 10.1016/j.ejmech.2023.115626 Vascular endothelial growth factor receptor 3 1
37453330 10.1016/j.ejmech.2023.115626 Vascular endothelial growth factor receptor 1 1
38183778 10.1016/j.ejmech.2024.116124 Vascular endothelial growth factor receptor 3 1
38183778 10.1016/j.ejmech.2024.116124 Vascular endothelial growth factor receptor 2 1
38183778 10.1016/j.ejmech.2024.116124 Vascular endothelial growth factor receptor 1 1
37944387 10.1016/j.ejmech.2023.115928 Vascular endothelial growth factor receptor 3 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
37944387 10.1016/j.ejmech.2023.115928 Vascular endothelial growth factor receptor 1 1
35763868 10.1016/j.ejmech.2022.114561 LoVo 1
35763868 10.1016/j.ejmech.2022.114561 COLO 205 1
35763868 10.1016/j.ejmech.2022.114561 HCT-116 1
35763868 10.1016/j.ejmech.2022.114561 HT-29 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine